N-methyl-1-propan-2-yloxyhex-5-yn-2-amine

C10H19NO — CID 105148994

IUPACN-methyl-1-propan-2-yloxyhex-5-yn-2-amine
SMILESC#CCCC(COC(C)C)NC
InChIInChI=1S/C10H19NO/c1-5-6-7-10(11-4)8-12-9(2)3/h1,9-11H,6-8H2,2-4H3
InChIKeyGYKKILXCCDOTRL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds6

About N-methyl-1-propan-2-yloxyhex-5-yn-2-amine

N-methyl-1-propan-2-yloxyhex-5-yn-2-amine (PubChem CID 105148994) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-methyl-1-propan-2-yloxyhex-5-yn-2-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yloxyhex-5-yn-2-amine
PubChem CID105148994
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-methyl-1-propan-2-yloxyhex-5-yn-2-amine
SMILESC#CCCC(COC(C)C)NC
InChIInChI=1S/C10H19NO/c1-5-6-7-10(11-4)8-12-9(2)3/h1,9-11H,6-8H2,2-4H3
InChIKeyGYKKILXCCDOTRL-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-propan-2-yloxyhept-6-yn-2-amine
CID 105179473
N-methyl-1-propoxyhex-5-yn-2-amine
CID 63655883
N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine
CID 105179503
N-methyl-1-propan-2-yloxyundecan-2-amine
CID 105013250
2-(methylamino)-3-propan-2-yloxypropan-1-ol
CID 64803823
1,1,1-trifluoro-N-methylhept-6-yn-3-amine
CID 63655485
2-ethoxy-N-methylhept-6-yn-3-amine
CID 64532782
N-methyl-1-propan-2-yloxypent-4-en-2-amine
CID 116660601
1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine
CID 105308012
N,4-dimethyl-1-propan-2-yloxypent-4-en-2-amine
CID 105162913
1-cyclopentyl-N-methylhept-6-yn-3-amine
CID 115859347
1-cyclopropyl-N-methylpent-4-yn-1-amine
CID 63657715

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yloxyhex-5-yn-2-amine?
The IUPAC name of N-methyl-1-propan-2-yloxyhex-5-yn-2-amine (CID 105148994) is N-methyl-1-propan-2-yloxyhex-5-yn-2-amine.
What is the SMILES notation for N-methyl-1-propan-2-yloxyhex-5-yn-2-amine?
The canonical SMILES for N-methyl-1-propan-2-yloxyhex-5-yn-2-amine is C#CCCC(COC(C)C)NC.
What is the InChIKey of N-methyl-1-propan-2-yloxyhex-5-yn-2-amine?
The InChIKey is GYKKILXCCDOTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-7-10(11-4)8-12-9(2)3/h1,9-11H,6-8H2,2-4H3.
What are the key properties of N-methyl-1-propan-2-yloxyhex-5-yn-2-amine?
N-methyl-1-propan-2-yloxyhex-5-yn-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yloxyhex-5-yn-2-amine is sourced from PubChem (CID 105148994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).